4-bromo-1-[(4-chlorophenyl)methyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyrazole-3-carboxamide

Formula:C24H18N4O2BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-bromo-1-[(4-chlorophenyl)methyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyrazole-3-carboxamide is not a drug-like molecule.

MolName	4-bromo-1-[(4-chlorophenyl)methyl]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]pyrazole-3-carboxamide
MolecularFormula	C24H18N4O2BrCl
Smiles	O=C(c1nn(Cc(cc2)ccc2Cl)cc1Br)N/N=C\c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C24H18BrClN4O2/c25-22-16-30(15-17-9-11-19(26)12-10-17)29-23(22)24(31)28-27-14-18-5-4-8-21(13-18)32-20-6-2-1-3-7-20/h1-14,16H,15H2,(H,28,31)
InChIK	ABAGRUZBMHKHFE-UHFFFAOYSA-N
TotalMolweight	509.79
Molweight	509.79
MonoisotopicMass	508.030164
CLogP	5.4022
CLogS	-7.169
H Acceptors	6
H Donors	1
TotalSurfaceArea	352.28
Relative PSA	0.18125
PolarSurfaceArea	68.51
Druglikeness	1.8092
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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